1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine

C16H26N2 — CID 114929481

IUPAC1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
SMILESCC1CCCN(CC(N)CCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-14-6-5-11-18(12-14)13-16(17)10-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3
InChIKeyGMSMVGZOBISSPO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine

1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine (PubChem CID 114929481) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
PubChem CID114929481
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
SMILESCC1CCCN(CC(N)CCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-14-6-5-11-18(12-14)13-16(17)10-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3
InChIKeyGMSMVGZOBISSPO-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
1-benzyl-3-methylpiperidine
CID 2794856
1-(2-cyclopentylpyrrolidin-1-yl)-4-phenylbutan-2-amine
CID 114929669
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929545
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
2-amino-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64797165
1-(2-cyclohepta-2,4,6-trien-1-yl-2-phenylethyl)-3-methylpiperidine
CID 143530391

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine (CID 114929481) is 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine is CC1CCCN(CC(N)CCc2ccccc2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine?
The InChIKey is GMSMVGZOBISSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-6-5-11-18(12-14)13-16(17)10-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine?
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 114929481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).